SCHEMBL20031355

SCHEMBL20031355

CCC(C)(C)c1ncccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.42
EPHX2 P34913 1/20 0.37
GAA P10253 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
HSD11B1 P28845 4/20 0.35
NFE2L2 Q16236 3/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
TRPV1 Q8NER1 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19203745 0.86 SSTR4 (0.43) SSTR4EPHX2GAASLC22A12HSD11B1
SCHEMBL23419080 0.83 SSTR4 (0.41) SSTR4EPHX2GAASLC22A12HSD11B1
SCHEMBL29502462 0.81 SSTR4 (0.47) SSTR4EPHX2GAASLC22A12NFE2L2
SCHEMBL11955143 0.81 SSTR4 (0.46) SSTR4EPHX2GAASLC22A12HSD11B1
SCHEMBL23419232 0.80 SSTR4 (0.41) SSTR4EPHX2GAASLC22A12HSD11B1
SCHEMBL31608519 0.78 EPHX2 (0.44) SSTR4EPHX2HSD11B1NFE2L2TAAR1
SCHEMBL8436654 0.78 EPHX2 (0.44) SSTR4EPHX2HSD11B1NFE2L2TAAR1
SCHEMBL16252852 0.78 SSTR4 (0.44) SSTR4EPHX2GAASLC22A12HSD11B1
SCHEMBL16021178 0.78 SSTR4 (0.44) SSTR4EPHX2GAASLC22A12HSD11B1
SCHEMBL20920985 0.78 TDP1 (0.35) SSTR4ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230027257-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE KANION USA INC. 2023-01-26 US disclosed
US-11242332-B2 Method for producing benzimidazole derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-02-08 US disclosed
US-20200071295-A1 METHOD FOR PRODUCING BENZIMIDAZOLE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2020-03-05 US disclosed
US-20180094010-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE NEWGEN THERAPEUTICS INC (US) 2018-04-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230027257-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP11 SSTR4 4809/4885EPHX2 2935/4885GAA 1083/4885
US-20180094010-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP11 SSTR4 4809/4885EPHX2 2935/4885GAA 1083/4885
US-11242332-B2 Method for producing benzimidazole derivative CYP3A4, CYP3A5, CYP3A43 SSTR4 3487/4885EPHX2 2465/4885GAA 584/4885
US-20200071295-A1 METHOD FOR PRODUCING BENZIMIDAZOLE DERIVATIVE CYP3A4, CYP3A5, CYP3A43 SSTR4 3487/4885EPHX2 2465/4885GAA 584/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.